Mechanism, reactivity, and selectivity in Rh(III)-catalyzed phosphoryl-directed oxidative C-H activation/cyclization: A DFT study

Journal of Organic Chemistry

Volumn 79, Issue 11, 2014, Pages 5074-5081

  Liu, Liu Leo ^a,b   Wu, Yile ^a   Wang, Tao ^a   Gao, Xiang ^a   Zhu, Jun ^a   Zhao, Yufen ^a  

^a XIAMEN UNIVERSITY   (China)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; ACTIVATION ENERGY; CATALYSIS; CATALYSTS; DENSITY FUNCTIONAL THEORY; ELECTRONS; HYDROCARBONS; RECYCLING; SILVER COMPOUNDS; TRANSITION METALS;

ALKYNE INSERTIONS; CALCULATION RESULTS; CATALYST RECYCLING; ELECTRON-DEFICIENT; ELECTRONIC EFFECTS; FURTHER DEVELOPMENT; RATE DETERMINING STEP; REDUCTIVE ELIMINATION;

RHODIUM COMPOUNDS;

ALKYNE; ORGANOPHOSPHORUS COMPOUND; RHENIUM; TRANSITION ELEMENT; RHODIUM;

ARTICLE; CATALYSIS; CATALYST; CYCLIZATION; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDROGEN BOND; MOLECULAR MECHANICS; OXIDATION; REACTION ANALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

ALKYNES; CATALYSIS; CYCLIZATION; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; QUANTUM THEORY; RHODIUM;

EID: 84902094476     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo500616g     Document Type: Article

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